Mandelic Acid

Mandelic Acid

SCHEMBL29454372

CC(C)C#N.O=C(O)[C@@H](O)c1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
MAPK1 P28482 1/20 0.69
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SRC P12931 2/20 0.46
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 2/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TRPA1 O75762 1/20 0.41
PTGS2 P35354 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Mandelic Acid SCHEMBL4047737 0.85 LMNA (0.95) LMNAMAPK1TSHRHPGDCES2
Mandelic Acid SCHEMBL19283553 0.85 LMNA (0.95) LMNAMAPK1TSHRHPGDCES2
Mandelic Acid SCHEMBL4319576 0.85 LMNA (0.95) LMNAMAPK1TSHRHPGDCES2
Mandelic Acid SCHEMBL4319572 0.85 LMNA (0.95) LMNAMAPK1TSHRHPGDCES2
Mandelic Acid SCHEMBL5320867 0.85 TSHR (0.73) LMNAMAPK1TSHRHPGDCES2
Mandelic Acid SCHEMBL8630179 0.84 LMNA (0.82) LMNAMAPK1TSHRHPGDCES2
Mandelic Acid SCHEMBL7529578 0.83 LMNA (0.90) LMNAMAPK1TSHRHPGDCES2
Mandelic Acid SCHEMBL7279536 0.83 LMNA (0.90) LMNAMAPK1HPGDCES2CES1
Mandelic Acid SCHEMBL7519719 0.83 LMNA (0.90) LMNAMAPK1TSHRHPGDCES2
Mandelic Acid SCHEMBL29777368 0.83 LMNA (1.00) LMNAMAPK1HPGDCES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089550-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)-N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE NEOMED INSTITUTE - INSTITUT NEOMED (CA) 2022-03-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220089550-A1 CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)-N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE ACMSD, AMY1A, ACACA LMNA 771/4885MAPK1 515/4885TSHR 4480/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.